SCHEMBL6316017

SCHEMBL6316017

Cc1ccccc1CNC(=O)c1c(-c2ccc(-c3cccc(Cl)c3)o2)noc1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.45
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 2/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
SCN2A Q99250 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6316246 0.91 RAB9A (0.43) ALDH1A1RAB9ASCN10ASCN2APOLB
SCHEMBL6324592 0.89 PRNP (0.45) ALDH1A1RAB9APOLBTP53MAPT
SCHEMBL6319272 0.89 RAB9A (0.42) ALDH1A1RAB9APOLBTP53MAPT
SCHEMBL6323058 0.89 NPC1 (0.51) ALDH1A1RAB9ATP53KDM4EHPGD
SCHEMBL6323204 0.88 CHRNB2 (0.41) ALDH1A1RAB9APOLBTP53MAPT
SCHEMBL6316372 0.87 NTRK1 (0.44) ALDH1A1RAB9APOLBMAPTNPC1
SCHEMBL6323691 0.87 CYP1A2 (0.42) ALDH1A1TP53KDM4EHPGDMAPT
SCHEMBL6315099 0.86 ALDH1A1 (0.47) S1PR4ALDH1A1RAB9APOLBTP53
SCHEMBL6316611 0.86 RAB9A (0.48) S1PR4ALDH1A1RAB9APOLBTP53
SCHEMBL6315923 0.86 CA2 (0.52) ALDH1A1SCN10ASCN2AKDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 S1PR4 4667/4885ALDH1A1 4444/4885RAB9A 1754/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.